SCHEMBL6629437

SCHEMBL6629437

COC(=O)Oc1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
CFTR P13569 1/20 0.37
PTPRC P08575 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HDAC1 Q13547 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PDK2 Q15119 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.34
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3844906 0.89 KMT2A (0.39) DGAT1CFTRDDB1CRBNHDAC1
SCHEMBL6627099 0.89 NAMPT (0.40) HDAC1HDAC2MEN1KMT2AAURKB
SCHEMBL6631299 0.88 ABL1 (0.40) MEN1KMT2AAURKBGSK3B
SCHEMBL6630723 0.86 TDP1 (0.37) MEN1KMT2AADCY6ADCY3ADCY9
SCHEMBL6630893 0.85 MCHR1 (0.51) MEN1KMT2A
SCHEMBL6630236 0.85 MCHR1 (0.46) MEN1KMT2AAURKBCHEK1DAPK3
SCHEMBL6655582 0.84 KMT2A (0.41) MEN1KMT2AAURKBFLT3GSK3B
SCHEMBL6630370 0.81 KMT2A (0.41) MEN1KMT2AAURKBFLT4KDR
SCHEMBL6630581 0.81 EPHX2 (0.44) CFTRCRBNMEN1KMT2ACDK2
SCHEMBL6630566 0.81 ABL1 (0.43) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed